SCHEMBL13622690

SCHEMBL13622690

Cc1ccc(C#N)c(N2CCC(CC(=O)O)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.51
FFAR4 Q5NUL3 10/20 0.51
PDE4B Q07343 2/20 0.46
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL1022986 0.93 FFAR4 (0.48) HRH4FFAR4PDE4BKDM4EALDH1A1
SCHEMBL15831840 0.84 HRH4 (0.59) HRH4PDE4BKDM4EALDH1A1GAA
SCHEMBL1025467 0.81 HRH4 (0.43) HRH4FFAR4KDM4EALDH1A1GAA
SCHEMBL13669869 0.81 PDE4B (0.46) FFAR4PDE4B
SCHEMBL13622692 0.81 ALDH1A1 (0.67) FFAR4KDM4EALDH1A1HPGDTSHR
SCHEMBL13622633 0.80 KDM4E (0.66) FFAR4PDE4BKDM4EALDH1A1MAPT
SCHEMBL15831812 0.80 HRH4 (0.51) HRH4PDE4BKDM4EALDH1A1GAA
SCHEMBL2527319 0.78 HRH4 (0.61) HRH4KDM4EALDH1A1GAAMAPT
SCHEMBL15831802 0.78 HRH4 (0.51) HRH4KDM4EALDH1A1GAAMAPT
SCHEMBL3934955 0.77 P2RY12 (0.63) KDM4EALDH1A1MAPTHPGDL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK HRH4 1669/4885FFAR4 2075/4885PDE4B 3460/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.